SCHEMBL25759526

SCHEMBL25759526

CCn1nc(C(F)(F)F)c2cccnc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
DYRK1A Q13627 1/20 0.39
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
PTGDR2 Q9Y5Y4 4/20 0.37
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
HTR2C P28335 3/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
TNNI3 P19429 1/20 0.33
CRHBP P24387 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25757544 0.88 ELANE (0.47) ELANEL3MBTL1DYRK1APDE4APDE4B
SCHEMBL12299464 0.86 L3MBTL1 (0.43) ELANEL3MBTL1DYRK1APDE4APDE4B
SCHEMBL15491616 0.81 ELANE (0.53) ELANEL3MBTL1PTGDR2MAPTTDP1
SCHEMBL15484830 0.81 ELANE (0.55) ELANEL3MBTL1PTGDR2MAPTTDP1
SCHEMBL15492976 0.79 KMT2A (0.50) ELANEL3MBTL1KDM4EMEN1KMT2A
SCHEMBL13562830 0.77 L3MBTL1 (0.67) L3MBTL1DYRK1ARETKDRHTR2C
SCHEMBL30509506 0.76 L3MBTL1 (0.45) ELANEL3MBTL1DYRK1APDE4APDE4B
SCHEMBL17067003 0.76 SSTR4 (0.46) PDE4APDE4BPDE4CPDE4DMAPT
SCHEMBL12329417 0.76 L3MBTL1 (0.45) L3MBTL1DYRK1APDE4APDE4BPDE4C
SCHEMBL30744912 0.74 CNR1 (0.45) ELANEL3MBTL1MAPTKDM4EMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023098738-A1 COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE 江苏中旗科技股份有限公司 2023-06-08 WO disclosed